In this paper we discuss the state of the art of modelling of liquid crystals at molecular resolution level, showing their evolution from simple uniaxial to more complex mono-site and multi-site models. We then introduce “decorated” models, where specific molecular details, e.g. electrostatic charge distributions are added to allow the computer simulation of more realistic and more specific features and briefly show some of their applications.

Computer simulation of liquid crystal materials: from generic to specifically decorated molecular model

ZANNONI, CLAUDIO
2007

Abstract

In this paper we discuss the state of the art of modelling of liquid crystals at molecular resolution level, showing their evolution from simple uniaxial to more complex mono-site and multi-site models. We then introduce “decorated” models, where specific molecular details, e.g. electrostatic charge distributions are added to allow the computer simulation of more realistic and more specific features and briefly show some of their applications.
2007
COMPUTATIONAL METHODS IN SCIENCE AND ENGINEERING: Theory and Computation: Old Problems and New Challenges. Lectures Presented at the International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007): VOLUME 1
520
525
C. Zannoni
File in questo prodotto:
Eventuali allegati, non sono esposti

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11585/54518
 Attenzione

Attenzione! I dati visualizzati non sono stati sottoposti a validazione da parte dell'ateneo

Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 1
  • ???jsp.display-item.citation.isi??? ND
social impact